(3R)-3-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-4-[[1-[[(2R)-3-(1H-indol-3-yl)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]-methyl-amino]-1-oxidanylidene-hexan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3R)-3-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-4-[[1-[[(2R)-3-(1H-indol-3-yl)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]-methyl-amino]-1-oxidanylidene-hexan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3R)-3-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-4-[1-[[(1R)-2-tert-butoxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-methyl-carbamoyl]pentylamino]-4-oxo-butanoic acid CAS Name: (3R)-3-[[(2R)-2-amino-1-oxo-3-phenylpropyl]amino]-4-[[1-[[(2R)-3-(1H-indol-3-yl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-methylamino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3R)-3-[[(2R)-2-amino-3-phenylpropanoyl]amino]-4-[[1-[[(2R)-3-(1H-indol-3-yl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-methylamino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3R)-3-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-4-[1-[[(1R)-2-tert-butoxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-methyl-carbamoyl]pentylamino]-4-keto-butyric acid Formula: C35H47N5O7 MolecularWeight: 649.77698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N(C)C(CC1=CNC2=CC=CC=C21)C(=O)OC(C)(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CCCCC(C(=O)N(C)[C@H](CC1=CNC2=CC=CC=C21)C(=O)OC(C)(C)C)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C35H47N5O7/c1-6-7-16-27(38-32(44)28(20-30(41)42)39-31(43)25(36)18-22-13-9-8-10-14-22)33(45)40(5)29(34(46)47-35(2,3)4)19-23-21-37-26-17-12-11-15-24(23)26/h8-15,17,21,25,27-29,37H,6-7,16,18-20,36H2,1-5H3,(H,38,44)(H,39,43)(H,41,42)/t25-,27?,28-,29-/m1/s1